16 Lattice="6.0 0.0 0.0 0.0 6.0 0.0 0.0 0.0 6.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-32.10914805038251 stress="-306.27654044550934 -59.00137707097494 -9.59576311416518 -59.00137707097494 -292.3004746345037 -103.43711476261296 -9.59576311416518 -103.43711476261296 -284.1346931320838" pbc="F F F" I 0.18330694 -0.12005819 -0.07298995 -0.01752638 -0.36576469 0.28169354 I 1.32470342 1.74808003 1.39454821 7.99022864 -36.91497398 -16.58296594 I 3.06462246 -0.24699833 0.14546099 -42.68630507 -36.52846639 -21.99418245 I 4.57011552 1.22867829 1.01200223 40.25390044 40.67130197 26.56233778 I -0.29238940 3.25522232 0.13461886 -17.06075168 -4.85988926 -18.43701590 I 1.35113483 4.27056071 1.61707463 6.47364837 51.63564304 -14.89512432 I 2.84137502 2.89337476 -0.12078580 11.54135617 9.43967485 -12.35561649 I 4.71066266 4.55221930 1.62340494 -1.62172013 -1.65819632 -7.12960136 I -0.26115759 0.39354607 2.81239940 -3.94340283 -18.24410745 4.16247999 I 1.62910204 1.45496325 4.55050352 -18.14984383 12.55128741 21.48849553 I 2.85039882 0.25922189 2.88493821 -2.02227105 -28.34398938 -34.08771629 I 4.42597960 1.22057525 4.42148644 15.72855006 12.77320964 14.48431509 I -0.25361171 2.88346897 2.77698867 -30.58378675 13.04854719 31.25395956 I 1.73500502 4.27584575 4.37275342 -31.27519111 30.38960366 35.93287046 I 2.85901016 2.96535311 2.86906371 46.98913332 -55.50508416 -28.74207666 I 4.37937429 4.28471308 4.16806147 18.38398182 11.91120387 20.05814746